Chlorine in PDB 5sdi: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329, PDB code: 5sdi was solved by C.T.Tham, J.A.Coker, T.Krojer, W.R.Foster, L.Koekemoer, A.Douangamath, R.Talon, D.Fearon, F.Von Delft, W.W.Yue, C.Bountra, G.A.Bezerra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.65 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.435, 116.912, 147.614, 90, 90, 90
R / Rfree (%)	21.6 / 23.9

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329 (pdb code 5sdi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329, PDB code: 5sdi:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:73.8 occ:1.00 CB A:ARG372 3.4 44.5 1.0 CG A:ARG372 3.5 48.6 1.0 N A:ARG372 3.5 43.3 1.0 CD A:PRO371 3.6 46.8 1.0 CD A:ARG372 3.7 53.7 1.0 CB A:THR370 3.8 52.8 1.0 N A:PRO371 3.9 48.0 1.0 CA A:THR370 3.9 51.0 1.0 C A:THR370 4.0 49.7 1.0 CA A:ARG372 4.0 42.6 1.0 CG2 A:THR370 4.2 53.5 1.0 CG A:PRO371 4.4 48.0 1.0 NE A:ARG372 4.5 59.5 1.0 C A:PRO371 4.5 44.8 1.0 CA A:PRO371 4.7 46.5 1.0 O A:THR370 4.8 50.0 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:44.2 occ:1.00 O A:HOH997 3.3 53.6 1.0 N A:ASP687 3.3 30.1 1.0 N A:ALA686 3.6 29.4 1.0 C A:LEU685 3.6 29.2 1.0 CA A:LEU685 3.7 29.5 1.0 CD2 A:TYR688 3.8 29.4 1.0 CB A:ASP687 3.8 33.0 1.0 CB A:LEU685 3.8 30.5 1.0 CA A:ASP687 4.0 30.4 1.0 OD2 A:ASP687 4.2 43.3 1.0 CD A:ARG348 4.2 36.3 1.0 NE A:ARG348 4.2 39.2 1.0 O A:LEU685 4.2 28.9 1.0 CG A:ASP687 4.3 39.9 1.0 CE2 A:TYR688 4.3 29.9 1.0 C A:ALA686 4.3 30.6 1.0 CD2 A:LEU685 4.3 34.0 1.0 N A:TYR688 4.4 28.4 1.0 CA A:ALA686 4.4 29.9 1.0 C A:ASP687 4.5 29.8 1.0 CG A:LEU685 4.7 33.3 1.0 CB A:ALA686 4.9 29.6 1.0 CG A:TYR688 4.9 28.4 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z44592329 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:65.1 occ:1.00 N B:LYS254 3.8 38.3 1.0 CG B:LYS254 3.9 47.1 1.0 CA B:PRO253 4.1 38.9 1.0 CE2 B:PHE124 4.1 32.7 1.0 CE B:LYS254 4.1 58.7 1.0 CB B:PRO253 4.2 39.7 1.0 CZ B:PHE124 4.2 32.9 1.0 CD2 B:PHE124 4.3 32.0 1.0 C B:PRO253 4.4 38.8 1.0 CD B:LYS254 4.5 53.0 1.0 O B:ASP60 4.5 30.7 1.0 CD2 B:LEU251 4.6 41.5 1.0 CB B:LYS254 4.6 42.0 1.0 CE1 B:PHE124 4.6 33.0 1.0 CG B:PHE124 4.7 31.3 1.0 CA B:LYS254 4.8 38.7 1.0 CD1 B:PHE124 4.8 32.2 1.0

C.T.Tham, J.A.Coker, T.Krojer, W.R.Foster, L.Koekemoer, A.Douangamath, R.Talon, D.Fearon, F.Von Delft, W.W.Yue, C.Bountra, G.A.Bezerra. Pandda Analysis Group Deposition To Be Published.